2-[(1S,2R)-2-(2,3,4-trimethoxyphenyl)cycloheptyl]sulfanylethanoic acid

Systemtic Name: 2-[(1S,2R)-2-(2,3,4-trimethoxyphenyl)cycloheptyl]sulfanylethanoic acid Openeye Name: 2-[(1S,2R)-2-(2,3,4-trimethoxyphenyl)cycloheptyl]sulfanylacetic acid CAS Name: 2-[[(1S,2R)-2-(2,3,4-trimethoxyphenyl)cycloheptyl]thio]acetic acid IUPAC Name: 2-[(1S,2R)-2-(2,3,4-trimethoxyphenyl)cycloheptyl]sulfanylacetic acid Traditional Name: 2-[[(1S,2R)-2-(2,3,4-trimethoxyphenyl)cycloheptyl]thio]acetic acid Formula: C18H26O5S MolecularWeight: 354.46104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2CCCCCC2SCC(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)[C@H]2CCCCC[C@@H]2SCC(=O)O)OC)OC

InChI

InChI=1S/C18H26O5S/c1-21-14-10-9-13(17(22-2)18(14)23-3)12-7-5-4-6-8-15(12)24-11-16(19)20/h9-10,12,15H,4-8,11H2,1-3H3,(H,19,20)/t12-,15+/m1/s1